==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 04-APR-04 1SZ6 . COMPND 2 MOLECULE: RRNA N-GLYCOSIDASE A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR A.G.GABDOULKHAKOV,N.E.GUHLISTOVA,A.V.LYASHENKO,R.KRAUSPENHAA . 512 2 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 46 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 0 2 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 6 5 6 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A Y 0 0 93 0, 0.0 2,-0.3 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 161.3 -33.4 73.7 73.4 2 2 A E E -a 54 0A 84 51,-0.7 53,-3.0 1,-0.0 2,-0.5 -0.555 360.0-154.2 -70.9 130.8 -34.1 75.4 76.7 3 3 A R E -a 55 0A 100 -2,-0.3 2,-0.5 51,-0.2 53,-0.2 -0.947 10.1-169.0-115.5 121.0 -33.3 79.1 76.4 4 4 A L E -a 56 0A 15 51,-3.8 53,-3.3 -2,-0.5 2,-0.4 -0.913 10.8-155.2-107.5 132.7 -32.4 81.1 79.5 5 5 A S E +a 57 0A 76 -2,-0.5 2,-0.4 51,-0.2 53,-0.2 -0.888 15.0 178.9-115.2 140.2 -32.2 84.9 79.2 6 6 A L E -a 58 0A 13 51,-2.7 53,-1.5 -2,-0.4 2,-0.8 -0.987 19.5-146.2-137.4 124.3 -30.2 87.5 81.2 7 7 A R E -a 59 0A 146 -2,-0.4 2,-0.9 51,-0.2 53,-0.2 -0.817 14.4-157.1 -93.5 110.6 -30.3 91.2 80.5 8 8 A T E +a 60 0A 1 51,-1.5 53,-0.6 -2,-0.8 2,-0.3 -0.781 35.6 134.5 -93.2 104.2 -26.9 92.6 81.3 9 9 A V S > S- 0 0 7 -2,-0.9 3,-1.2 51,-0.2 126,-0.0 -0.831 73.3 -95.4-137.8 174.3 -27.2 96.3 82.0 10 10 A Q T 3 S+ 0 0 111 -2,-0.3 123,-0.1 1,-0.3 122,-0.1 0.543 125.8 57.8 -70.5 -4.7 -26.0 98.7 84.6 11 11 A Q T 3 S+ 0 0 138 2,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.572 74.5 120.1-100.1 -13.4 -29.4 98.1 86.3 12 12 A T < - 0 0 9 -3,-1.2 2,-0.2 1,-0.1 120,-0.1 -0.306 54.4-145.9 -55.9 129.9 -29.0 94.3 86.6 13 13 A T > - 0 0 51 1,-0.1 4,-2.3 169,-0.0 5,-0.2 -0.516 21.4-114.9 -96.8 165.3 -29.2 93.3 90.3 14 14 A G H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.907 118.1 54.7 -64.6 -40.5 -27.4 90.6 92.1 15 15 A A H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.918 108.6 48.7 -58.5 -43.7 -30.7 88.9 92.8 16 16 A E H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 114.6 44.1 -62.8 -46.3 -31.4 88.9 89.0 17 17 A Y H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 3,-0.2 0.947 112.9 53.7 -61.8 -48.2 -28.0 87.5 88.2 18 18 A F H X S+ 0 0 31 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.908 106.9 50.0 -52.2 -50.4 -28.4 85.0 91.0 19 19 A S H X S+ 0 0 57 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.851 107.1 56.1 -59.7 -37.3 -31.7 83.7 89.7 20 20 A F H X S+ 0 0 8 -4,-1.6 4,-2.0 -3,-0.2 -1,-0.2 0.947 110.4 43.2 -60.6 -50.5 -30.2 83.2 86.2 21 21 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.904 113.0 51.8 -64.6 -41.8 -27.4 81.0 87.5 22 22 A T H X S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.949 110.6 48.8 -60.2 -47.3 -29.7 79.0 89.8 23 23 A L H X S+ 0 0 72 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.858 109.5 52.4 -60.0 -37.0 -32.1 78.4 86.9 24 24 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.938 109.7 49.4 -63.5 -45.0 -29.2 77.3 84.7 25 25 A R H X S+ 0 0 32 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.906 109.2 54.1 -58.0 -45.0 -28.2 74.9 87.5 26 26 A D H >< S+ 0 0 104 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.954 109.0 45.2 -55.8 -56.2 -31.8 73.6 87.6 27 27 A F H 3< S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.907 115.4 47.0 -57.9 -43.3 -32.0 72.8 83.9 28 28 A V H 3< S+ 0 0 0 -4,-2.2 13,-0.7 -5,-0.2 2,-0.4 0.537 86.9 108.3 -77.9 -5.0 -28.6 71.1 83.8 29 29 A S E << -F 40 0B 43 -3,-1.1 11,-0.2 -4,-0.9 213,-0.0 -0.607 57.7-157.0 -75.0 124.8 -29.3 69.0 87.0 30 30 A S E - 0 0 38 9,-2.5 -1,-0.2 -2,-0.4 10,-0.1 0.636 38.9-117.5 -76.5 -13.7 -29.9 65.4 86.1 31 31 A G E S+ 0 0 52 1,-0.4 2,-0.2 8,-0.4 9,-0.1 0.203 83.3 110.8 94.6 -15.4 -31.8 64.9 89.3 32 32 A S E - 0 0 34 7,-0.3 7,-2.0 220,-0.0 -1,-0.4 -0.536 49.2-165.6 -89.6 158.9 -29.2 62.5 90.5 33 33 A F E -F 38 0B 71 5,-0.2 220,-3.3 -2,-0.2 2,-0.3 -0.823 17.2-151.0-135.1 174.4 -26.8 63.1 93.4 34 34 A S E > S-F 37 0B 0 3,-1.2 3,-2.0 218,-0.3 218,-0.1 -0.883 89.4 -15.3-150.6 113.0 -23.6 61.8 94.9 35 35 A N T 3 S- 0 0 32 -2,-0.3 217,-0.1 1,-0.3 219,-0.0 0.876 129.7 -55.9 55.2 38.9 -23.1 62.3 98.6 36 36 A N T 3 S+ 0 0 116 215,-0.4 -1,-0.3 1,-0.2 435,-0.1 0.419 112.7 118.8 75.7 0.7 -25.9 64.9 98.4 37 37 A I E < -F 34 0B 0 -3,-2.0 -3,-1.2 1,-0.1 -1,-0.2 -0.881 69.4-110.8-102.9 125.5 -24.2 67.0 95.7 38 38 A P E -F 33 0B 19 0, 0.0 205,-2.4 0, 0.0 2,-0.3 -0.026 29.6-144.8 -49.3 150.2 -26.1 67.3 92.4 39 39 A L E -g 243 0C 0 -7,-2.0 -9,-2.5 203,-0.2 -8,-0.4 -0.910 10.0-124.2-122.6 148.6 -24.8 65.6 89.2 40 40 A L E -F 29 0B 0 203,-2.4 -11,-0.2 -2,-0.3 33,-0.1 -0.533 50.4 -82.4 -83.2 155.9 -24.9 66.7 85.6 41 41 A R - 0 0 80 -13,-0.7 204,-0.4 31,-0.5 -1,-0.1 -0.251 61.2 -87.3 -58.9 149.5 -26.5 64.3 83.2 42 42 A Q > - 0 0 89 1,-0.1 3,-1.7 202,-0.1 2,-0.6 -0.205 32.2-113.1 -60.2 149.8 -24.2 61.5 82.1 43 43 A S T 3 S+ 0 0 99 202,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.045 104.2 85.3 -72.6 29.4 -22.0 62.0 79.0 44 44 A T T 3 + 0 0 105 -2,-0.6 -1,-0.3 2,-0.1 3,-0.1 0.549 54.2 121.3-105.3 -13.0 -24.0 59.4 77.3 45 45 A I S < S- 0 0 15 -3,-1.7 28,-0.1 1,-0.1 2,-0.0 -0.273 73.8-107.6 -52.3 129.6 -26.7 61.8 76.1 46 46 A P > - 0 0 78 0, 0.0 3,-2.3 0, 0.0 6,-0.1 -0.314 14.3-125.7 -63.1 142.6 -26.8 61.6 72.3 47 47 A V T 3 S+ 0 0 54 1,-0.3 5,-0.1 -3,-0.1 -2,-0.1 0.814 116.6 53.8 -56.1 -28.2 -25.4 64.5 70.3 48 48 A S T 3 S+ 0 0 79 4,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.508 83.3 125.9 -83.8 -8.0 -28.8 64.5 68.6 49 49 A E X - 0 0 51 -3,-2.3 3,-0.7 1,-0.1 4,-0.2 -0.145 64.3-132.1 -53.5 145.5 -30.6 64.7 72.0 50 50 A G T 3 S+ 0 0 46 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.717 105.3 36.3 -74.7 -22.7 -33.2 67.5 72.4 51 51 A S T 3 S+ 0 0 43 1,-0.1 -1,-0.2 -50,-0.1 21,-0.1 0.123 81.5 110.7-115.2 18.3 -31.9 68.6 75.8 52 52 A R S < S+ 0 0 25 -3,-0.7 20,-1.8 -6,-0.1 21,-0.4 0.725 82.1 40.3 -63.8 -22.5 -28.2 68.0 75.1 53 53 A F E - B 0 71A 1 18,-0.2 -51,-0.7 -3,-0.2 2,-0.4 -0.950 65.1-155.5-132.0 149.9 -27.7 71.8 75.1 54 54 A V E -aB 2 70A 0 16,-2.4 16,-2.8 -2,-0.3 2,-0.5 -0.987 18.0-144.5-123.3 131.3 -28.9 74.7 77.1 55 55 A L E -aB 3 69A 12 -53,-3.0 -51,-3.8 -2,-0.4 2,-0.5 -0.854 10.0-166.5-103.1 128.4 -28.9 78.2 75.5 56 56 A V E -aB 4 68A 2 12,-2.4 12,-3.0 -2,-0.5 2,-0.5 -0.952 7.6-160.3-112.6 127.1 -28.1 81.3 77.5 57 57 A E E -aB 5 67A 49 -53,-3.3 -51,-2.7 -2,-0.5 2,-0.4 -0.941 4.0-166.2-113.2 123.0 -29.0 84.6 75.8 58 58 A L E -aB 6 66A 2 8,-2.3 8,-1.7 -2,-0.5 2,-0.4 -0.900 4.9-175.8-110.7 136.4 -27.4 87.8 77.0 59 59 A T E -aB 7 65A 23 -53,-1.5 -51,-1.5 -2,-0.4 6,-0.2 -0.992 11.6-150.6-132.5 122.5 -28.6 91.3 76.0 60 60 A N E > -a 8 0A 2 4,-1.7 3,-2.1 -2,-0.4 -51,-0.2 -0.262 39.2 -91.4 -85.7 177.4 -26.9 94.5 77.0 61 61 A A T 3 S+ 0 0 59 -53,-0.6 -52,-0.1 1,-0.3 -1,-0.1 0.813 124.4 63.2 -57.0 -30.6 -28.5 97.9 77.5 62 62 A G T 3 S- 0 0 65 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.533 118.9-108.3 -73.8 -6.2 -27.9 98.7 73.8 63 63 A G S < S+ 0 0 50 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.520 70.3 146.4 91.3 5.0 -30.1 95.9 72.7 64 64 A D - 0 0 32 18,-0.0 -4,-1.7 80,-0.0 2,-0.4 -0.545 25.6-171.8 -77.3 140.9 -27.3 93.7 71.5 65 65 A S E +B 59 0A 33 -6,-0.2 18,-0.6 -2,-0.2 2,-0.3 -0.996 17.8 170.4-140.8 141.7 -27.7 90.0 71.9 66 66 A I E -BC 58 82A 2 -8,-1.7 -8,-2.3 -2,-0.4 2,-0.4 -0.964 21.5-143.0-140.9 149.9 -25.6 86.8 71.6 67 67 A T E -BC 57 81A 1 14,-2.2 14,-2.7 -2,-0.3 2,-0.4 -0.978 7.9-153.1-123.1 131.1 -26.6 83.3 72.6 68 68 A A E -BC 56 80A 11 -12,-3.0 -12,-2.4 -2,-0.4 2,-0.6 -0.840 8.7-142.1-104.4 138.8 -24.2 80.8 74.0 69 69 A A E -BC 55 79A 0 10,-3.7 9,-3.2 -2,-0.4 10,-1.1 -0.879 19.0-165.9-100.5 121.5 -24.7 77.0 73.7 70 70 A I E -BC 54 77A 1 -16,-2.8 -16,-2.4 -2,-0.6 2,-0.6 -0.933 21.5-127.2-113.6 127.9 -23.7 75.1 76.8 71 71 A D E >>> -BC 53 76A 3 5,-2.9 4,-2.5 -2,-0.5 3,-1.4 -0.607 15.8-149.5 -71.4 117.5 -23.2 71.4 76.9 72 72 A V T 345S+ 0 0 1 -20,-1.8 -31,-0.5 -2,-0.6 -1,-0.2 0.616 92.0 63.7 -65.6 -12.8 -25.4 70.1 79.8 73 73 A T T 345S+ 0 0 6 -21,-0.4 172,-0.5 -33,-0.1 -1,-0.3 0.689 127.0 5.7 -85.1 -18.0 -23.1 67.2 80.4 74 74 A N T <45S- 0 0 30 -3,-1.4 -2,-0.2 2,-0.2 3,-0.1 0.352 90.0-118.9-145.0 3.6 -20.2 69.5 81.4 75 75 A L T <5 + 0 0 0 -4,-2.5 2,-0.2 1,-0.2 -3,-0.2 0.678 64.1 150.5 61.5 14.8 -21.4 73.1 81.5 76 76 A Y E < -C 71 0A 110 -5,-0.6 -5,-2.9 88,-0.1 2,-0.6 -0.537 52.1-121.9 -77.8 144.0 -18.8 73.8 78.7 77 77 A V E +C 70 0A 18 -7,-0.2 -7,-0.3 -2,-0.2 36,-0.2 -0.803 32.2 178.2 -87.0 121.7 -19.6 76.5 76.3 78 78 A V E - 0 0 7 -9,-3.2 11,-2.4 -2,-0.6 2,-0.3 0.802 57.0 -26.8 -95.1 -33.3 -19.6 74.8 72.8 79 79 A A E -CD 69 88A 0 -10,-1.1 -10,-3.7 9,-0.2 -1,-0.3 -0.980 52.5-136.8-170.3 169.1 -20.5 77.7 70.6 80 80 A Y E -CD 68 87A 9 7,-1.8 7,-2.3 -2,-0.3 2,-0.5 -0.980 8.9-139.8-141.4 155.0 -22.4 81.1 70.3 81 81 A Q E -CD 67 86A 33 -14,-2.7 -14,-2.2 -2,-0.3 2,-0.5 -0.960 15.4-179.6-119.5 126.6 -24.7 82.9 67.9 82 82 A A E > -CD 66 85A 1 3,-1.7 3,-1.8 -2,-0.5 2,-0.8 -0.969 67.6 -45.9-125.8 112.2 -24.4 86.6 67.1 83 83 A G T 3 S- 0 0 31 -18,-0.6 61,-0.1 -2,-0.5 60,-0.0 -0.535 126.5 -21.8 68.2-108.4 -26.9 87.9 64.6 84 84 A Q T 3 S+ 0 0 108 -2,-0.8 21,-2.8 20,-0.0 2,-0.3 0.007 118.1 99.4-123.2 25.7 -26.9 85.3 61.8 85 85 A Q E < -De 82 105A 31 -3,-1.8 -3,-1.7 19,-0.2 2,-0.4 -0.868 51.7-159.9-116.7 148.3 -23.4 83.9 62.6 86 86 A S E -De 81 106A 0 19,-2.8 21,-3.0 -2,-0.3 2,-0.5 -0.990 3.7-168.7-127.2 133.2 -22.4 80.7 64.5 87 87 A Y E -De 80 107A 27 -7,-2.3 -7,-1.8 -2,-0.4 2,-0.5 -0.986 4.9-164.5-126.3 123.9 -19.0 80.1 66.0 88 88 A F E -De 79 108A 1 19,-2.8 21,-3.3 -2,-0.5 -9,-0.2 -0.924 19.3-125.3-112.3 128.5 -18.0 76.7 67.3 89 89 A L > - 0 0 6 -11,-2.4 3,-1.9 -2,-0.5 23,-0.2 -0.402 37.3 -93.6 -71.2 143.7 -15.1 76.1 69.5 90 90 A K T 3 S+ 0 0 90 21,-1.6 23,-0.3 19,-0.4 -1,-0.1 -0.265 116.0 28.1 -53.2 139.2 -12.4 73.6 68.5 91 91 A D T 3 S+ 0 0 123 1,-0.3 -1,-0.3 21,-0.1 3,-0.1 0.510 82.6 157.5 82.0 5.6 -13.3 70.2 70.1 92 92 A A < - 0 0 27 -3,-1.9 -1,-0.3 1,-0.1 4,-0.2 -0.373 59.6 -79.8 -60.3 142.7 -17.0 71.0 70.2 93 93 A P > - 0 0 27 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.090 57.3 -96.2 -46.9 137.6 -19.0 67.7 70.3 94 94 A A T 3 S+ 0 0 87 1,-0.3 -47,-0.0 2,-0.1 0, 0.0 -0.277 111.0 25.2 -58.3 138.8 -19.3 66.0 66.9 95 95 A G T 3 S+ 0 0 33 -3,-0.1 4,-0.4 -47,-0.0 -1,-0.3 0.421 88.4 115.3 85.9 -1.2 -22.5 66.7 65.1 96 96 A A X> + 0 0 1 -3,-1.8 4,-3.1 1,-0.2 3,-2.4 0.938 67.1 59.6 -64.7 -48.7 -22.8 70.0 67.0 97 97 A E T 34 S+ 0 0 54 1,-0.3 -1,-0.2 -4,-0.3 -3,-0.1 0.840 108.8 47.7 -46.1 -38.5 -22.5 72.2 63.9 98 98 A T T 34 S+ 0 0 102 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.505 118.4 37.5 -84.4 -8.7 -25.6 70.3 62.6 99 99 A Q T <4 S+ 0 0 60 -3,-2.4 3,-0.4 -4,-0.4 2,-0.4 0.751 101.7 75.6-110.1 -39.9 -27.7 70.7 65.8 100 100 A D S < S- 0 0 0 -4,-3.1 3,-0.1 1,-0.2 -1,-0.1 -0.640 108.1 -10.0 -86.8 132.4 -26.9 74.2 67.1 101 101 A F S S- 0 0 25 -2,-0.4 3,-0.4 1,-0.2 2,-0.3 0.965 76.7-153.3 49.1 67.4 -28.2 77.4 65.6 102 102 A A S S+ 0 0 92 -3,-0.4 -1,-0.2 1,-0.2 -4,-0.1 -0.560 74.7 32.5 -70.6 126.0 -29.7 75.8 62.5 103 103 A G S S+ 0 0 77 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.878 93.0 105.0 94.9 44.7 -29.7 78.5 59.7 104 104 A T S S- 0 0 29 -3,-0.4 2,-1.2 -18,-0.0 -1,-0.3 -0.972 81.0 -90.5-149.1 159.3 -26.6 80.6 60.4 105 105 A T E -e 85 0A 77 -21,-2.8 -19,-2.8 -2,-0.3 2,-0.3 -0.629 49.7-151.8 -77.1 100.2 -23.2 81.1 58.9 106 106 A R E +e 86 0A 131 -2,-1.2 2,-0.3 -21,-0.2 -19,-0.2 -0.589 20.1 173.7 -79.8 129.5 -21.2 78.6 61.0 107 107 A S E -e 87 0A 39 -21,-3.0 -19,-2.8 -2,-0.3 2,-0.4 -0.929 25.1-124.1-131.9 155.6 -17.5 79.2 61.6 108 108 A S E -e 88 0A 90 -2,-0.3 -19,-0.2 -21,-0.2 -29,-0.0 -0.844 15.7-136.8-107.7 140.7 -15.0 77.3 63.7 109 109 A L - 0 0 10 -21,-3.3 -19,-0.4 -2,-0.4 40,-0.0 -0.653 15.5-129.9 -91.7 148.6 -12.8 78.8 66.4 110 110 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.395 87.4 53.1 -76.4 3.1 -9.1 77.9 66.8 111 111 A F - 0 0 0 7,-0.0 -21,-1.6 10,-0.0 2,-0.2 -0.947 69.4-138.8-139.1 156.0 -9.5 77.1 70.5 112 112 A N - 0 0 21 -2,-0.3 -21,-0.1 -23,-0.2 6,-0.1 -0.476 39.3 -99.3-101.9-179.1 -11.6 75.0 72.8 113 113 A G S S+ 0 0 17 -23,-0.3 2,-0.4 -36,-0.2 -36,-0.1 0.451 80.6 121.8 -82.8 0.3 -12.9 76.1 76.2 114 114 A S > - 0 0 46 1,-0.1 4,-3.1 4,-0.1 3,-0.4 -0.514 68.9-130.0 -67.2 120.1 -10.2 74.4 78.2 115 115 A Y H > S+ 0 0 20 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.816 103.8 56.2 -38.5 -49.0 -8.6 77.2 80.2 116 116 A P H > S+ 0 0 90 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.969 119.2 31.9 -51.4 -57.5 -5.0 76.2 79.2 117 117 A D H >> S+ 0 0 12 -3,-0.4 3,-1.7 1,-0.2 4,-0.8 0.962 118.0 54.2 -63.1 -55.7 -5.9 76.5 75.5 118 118 A L H >X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.3 3,-0.9 0.847 109.1 49.8 -48.3 -41.9 -8.5 79.3 75.9 119 119 A E H 3X S+ 0 0 37 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.3 0.680 94.7 70.5 -74.1 -19.0 -5.9 81.4 77.7 120 120 A R H << S+ 0 0 169 -3,-1.7 -1,-0.2 -4,-0.7 -2,-0.2 0.799 115.0 29.3 -66.2 -25.1 -3.3 80.9 75.0 121 121 A Y H << S+ 0 0 75 -3,-0.9 -2,-0.2 -4,-0.8 33,-0.2 0.705 129.5 37.3-104.1 -28.6 -5.6 83.1 73.0 122 122 A A H < S- 0 0 2 -4,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.683 102.9-119.3-100.0 -20.6 -7.2 85.3 75.7 123 123 A G < - 0 0 10 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.388 56.3 -28.4 101.7 174.4 -4.4 85.9 78.1 124 124 A H > - 0 0 107 -2,-0.1 3,-1.6 1,-0.1 4,-0.3 -0.364 45.8-138.6 -69.3 139.6 -4.3 85.0 81.8 125 125 A R G > S+ 0 0 25 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.847 102.8 64.7 -60.4 -37.6 -7.6 84.7 83.8 126 126 A D G 3 S+ 0 0 78 1,-0.3 -1,-0.3 61,-0.1 -2,-0.1 0.446 106.9 42.6 -69.0 1.5 -5.9 86.4 86.7 127 127 A Q G < S+ 0 0 136 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.331 92.8 92.1-125.8 1.1 -5.5 89.6 84.6 128 128 A I S < S- 0 0 12 -3,-1.4 58,-0.1 -4,-0.3 -1,-0.1 -0.879 73.4-133.6-104.4 110.8 -8.9 89.7 83.0 129 129 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.249 19.0-160.9 -61.1 147.2 -11.4 91.8 85.0 130 130 A L B +H 186 0D 0 56,-3.0 56,-2.7 31,-0.0 2,-0.2 -0.842 34.5 98.3-123.7 161.1 -14.9 90.4 85.5 131 131 A G S > S- 0 0 0 -2,-0.3 4,-1.8 54,-0.2 5,-0.2 -0.830 84.6 -58.5 144.8 177.1 -18.1 92.2 86.5 132 132 A I H > S+ 0 0 5 52,-0.4 4,-2.3 -2,-0.2 5,-0.2 0.887 130.6 51.6 -59.8 -38.5 -21.2 93.7 85.0 133 133 A D H > S+ 0 0 66 50,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.920 109.9 47.8 -63.7 -45.8 -19.2 96.0 82.6 134 134 A Q H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.804 111.5 52.3 -65.8 -29.1 -17.1 93.1 81.3 135 135 A L H X S+ 0 0 1 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.908 113.0 43.0 -73.4 -42.5 -20.2 91.1 80.8 136 136 A I H X S+ 0 0 24 -4,-2.3 4,-2.0 1,-0.2 3,-0.3 0.936 114.3 50.8 -67.2 -46.6 -21.9 93.9 78.8 137 137 A A H X S+ 0 0 58 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.858 107.2 55.3 -59.6 -35.5 -18.7 94.6 76.9 138 138 A S H X S+ 0 0 3 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.871 104.9 52.0 -67.0 -36.4 -18.5 90.8 76.1 139 139 A V H X S+ 0 0 1 -4,-1.5 4,-2.3 -3,-0.3 3,-0.3 0.950 114.5 42.9 -63.4 -48.3 -22.0 90.9 74.5 140 140 A T H X S+ 0 0 57 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.911 110.9 54.6 -63.6 -45.1 -21.0 93.8 72.3 141 141 A A H < S+ 0 0 34 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 0.761 117.3 36.6 -62.2 -27.3 -17.6 92.4 71.4 142 142 A L H < S+ 0 0 5 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.765 107.8 64.7 -95.8 -30.3 -19.1 89.2 70.2 143 143 A R H < S+ 0 0 69 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.1 0.864 99.4 55.5 -61.6 -39.8 -22.2 90.6 68.6 144 144 A F S >< S- 0 0 105 -4,-1.5 3,-0.7 -5,-0.1 -1,-0.1 -0.866 85.6-124.7-107.2 125.0 -20.5 92.5 65.9 145 145 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.185 83.1 65.9 -59.3 150.3 -18.0 90.9 63.4 146 146 A G T 3 + 0 0 82 1,-0.4 2,-0.1 -4,-0.1 -4,-0.1 0.113 65.0 129.5 121.9 -19.9 -14.5 92.3 63.1 147 147 A G < - 0 0 40 -3,-0.7 -1,-0.4 -6,-0.2 5,-0.0 -0.391 59.3-114.4 -68.9 145.3 -13.1 91.4 66.6 148 148 A S > - 0 0 65 1,-0.1 4,-1.6 -3,-0.1 5,-0.1 -0.111 27.4-105.6 -69.5 173.0 -9.8 89.6 66.8 149 149 A T H > S+ 0 0 54 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.895 121.9 60.2 -68.7 -37.9 -9.5 86.0 68.1 150 150 A R H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 106.0 49.0 -55.7 -37.8 -8.0 87.4 71.3 151 151 A T H > S+ 0 0 27 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.874 111.7 46.8 -70.4 -39.8 -11.3 89.3 71.8 152 152 A Q H X S+ 0 0 25 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.965 114.6 47.5 -65.2 -52.3 -13.5 86.3 71.1 153 153 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 -31,-0.2 0.929 114.7 45.8 -53.2 -51.1 -11.4 84.2 73.5 154 154 A R H X S+ 0 0 83 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.885 112.5 50.4 -62.4 -40.8 -11.4 86.8 76.2 155 155 A S H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.901 113.3 46.8 -64.5 -39.6 -15.1 87.5 75.8 156 156 A I H X S+ 0 0 6 -4,-2.8 4,-3.5 2,-0.2 5,-0.2 0.921 108.3 54.5 -67.4 -44.3 -15.7 83.7 76.1 157 157 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.876 107.8 51.4 -57.5 -38.7 -13.4 83.4 79.1 158 158 A I H X S+ 0 0 8 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.880 113.2 45.2 -67.0 -37.3 -15.5 86.1 80.8 159 159 A L H X>S+ 0 0 13 -4,-1.5 4,-1.7 2,-0.2 5,-0.6 0.951 109.3 53.7 -71.0 -49.7 -18.7 84.2 80.1 160 160 A I H <>S+ 0 0 10 -4,-3.5 5,-2.8 1,-0.2 6,-0.3 0.886 114.4 43.4 -51.4 -41.5 -17.4 80.8 81.1 161 161 A Q H <5S+ 0 0 1 -4,-1.9 5,-0.2 -5,-0.2 -1,-0.2 0.837 116.6 43.1 -76.8 -34.9 -16.4 82.3 84.5 162 162 A M H <5S+ 0 0 2 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.567 132.2 20.0 -89.0 -7.5 -19.4 84.3 85.2 163 163 A I T X5S+ 0 0 6 -4,-1.7 4,-1.6 -5,-0.1 -3,-0.2 0.664 130.5 31.8-121.4 -69.1 -21.9 81.6 84.1 164 164 A S H > S+ 0 0 15 69,-2.9 4,-3.0 -2,-0.4 5,-0.3 0.821 95.9 61.5 -73.5 -32.6 -21.0 78.9 95.1 171 171 A P H > S+ 0 0 6 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.886 111.7 42.1 -61.3 -32.5 -18.0 80.9 96.2 172 172 A I H > S+ 0 0 4 -7,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.866 113.5 49.9 -79.1 -40.2 -17.9 82.1 92.5 173 173 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -7,-0.4 5,-0.2 0.923 113.0 48.2 -64.6 -42.3 -21.6 82.7 92.2 174 174 A W H X S+ 0 0 15 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.845 112.1 48.2 -66.9 -35.6 -21.6 84.6 95.5 175 175 A R H X S+ 0 0 39 -4,-1.2 4,-2.2 -5,-0.3 5,-0.2 0.906 111.3 49.5 -72.5 -40.8 -18.6 86.8 94.4 176 176 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.920 111.8 49.0 -62.7 -43.9 -20.1 87.6 91.0 177 177 A R H X S+ 0 0 30 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.889 108.4 55.4 -62.4 -39.4 -23.4 88.6 92.6 178 178 A Q H X S+ 0 0 66 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.947 114.5 36.7 -58.1 -53.0 -21.5 90.7 95.1 179 179 A Y H X S+ 0 0 64 -4,-2.2 4,-1.3 2,-0.2 5,-0.4 0.774 111.1 59.7 -74.3 -27.6 -19.7 92.8 92.4 180 180 A I H < S+ 0 0 6 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.840 108.4 47.9 -68.3 -29.9 -22.7 92.8 90.0 181 181 A N H < S+ 0 0 94 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 117.4 39.9 -75.1 -41.7 -24.6 94.5 92.9 182 182 A S H < S- 0 0 75 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.550 101.6-131.0 -84.9 -7.8 -21.8 97.1 93.5 183 183 A G < + 0 0 33 -4,-1.3 -50,-0.3 1,-0.3 -3,-0.2 0.413 61.9 139.0 73.5 -5.6 -21.0 97.6 89.8 184 184 A A - 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